U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th2Fe2Si2C by Materials Project
Abstract
Th2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Th–Si bond distances ranging from 3.03–3.13 Å. Both Th–C bond lengths are 2.65 Å. Fe2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.33 Å. The Fe–C bond length is 1.81 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Th4+ and three equivalent Fe2+ atoms. C4- is bonded to four equivalent Th4+ and two equivalent Fe2+ atoms to form distorted edge-sharing CTh4Fe2 octahedra.
- Publication Date:
- Other Number(s):
- mp-1025382
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Fe-Si-Th; Th2Fe2Si2C; crystal structure
- OSTI Identifier:
- 1355497
- DOI:
- https://doi.org/10.17188/1355497
Citation Formats
Materials Data on Th2Fe2Si2C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355497.
Materials Data on Th2Fe2Si2C by Materials Project. United States. doi:https://doi.org/10.17188/1355497
2020.
"Materials Data on Th2Fe2Si2C by Materials Project". United States. doi:https://doi.org/10.17188/1355497. https://www.osti.gov/servlets/purl/1355497. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355497,
title = {Materials Data on Th2Fe2Si2C by Materials Project},
abstractNote = {Th2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Th–Si bond distances ranging from 3.03–3.13 Å. Both Th–C bond lengths are 2.65 Å. Fe2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.33 Å. The Fe–C bond length is 1.81 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Th4+ and three equivalent Fe2+ atoms. C4- is bonded to four equivalent Th4+ and two equivalent Fe2+ atoms to form distorted edge-sharing CTh4Fe2 octahedra.},
doi = {10.17188/1355497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.